5-bromo-2-phenyl-1-benzofuran

C14H9BrO — CID 12023031

IUPAC5-bromo-2-phenyl-1-benzofuran
SMILESBrc1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C14H9BrO/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9H
InChIKeySFOIOHYHETTZGZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP4.86
Rot. Bonds1

About 5-bromo-2-phenyl-1-benzofuran

5-bromo-2-phenyl-1-benzofuran (PubChem CID 12023031) has the molecular formula C14H9BrO and a molecular weight of 273.13 g/mol. Its IUPAC name is 5-bromo-2-phenyl-1-benzofuran.

Molecular Properties

Compound Name5-bromo-2-phenyl-1-benzofuran
PubChem CID12023031
Molecular FormulaC14H9BrO
Molecular Weight273.13 g/mol
Exact Mass271.98
IUPAC Name5-bromo-2-phenyl-1-benzofuran
SMILESBrc1ccc2oc(-c3ccccc3)cc2c1
InChIInChI=1S/C14H9BrO/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9H
InChIKeySFOIOHYHETTZGZ-UHFFFAOYSA-N
XLogP4.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Dibenzofuran
CID 568
2,3-Dimethylbenzofuran
CID 2734646
2,8-Dibromodibenzofuran
CID 82290
2-Bromodibenzofuran
CID 6856
2-Methylbenzofuran
CID 20263
2,3,7,8-Tetrabromodibenzofuran
CID 49973
6-Bromoflavone
CID 466276
Dibenzofuran, 2,7-dibromo-
CID 47643
1,2,3,7,8-Pentabromodibenzofuran
CID 86281
2,3,4,7,8-Pentabromodibenzofuran
CID 107998
6,3'-Dibromoflavone
CID 10045305
Benzofurans
CID 253613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-phenyl-1-benzofuran?
The IUPAC name of 5-bromo-2-phenyl-1-benzofuran (CID 12023031) is 5-bromo-2-phenyl-1-benzofuran.
What is the SMILES notation for 5-bromo-2-phenyl-1-benzofuran?
The canonical SMILES for 5-bromo-2-phenyl-1-benzofuran is Brc1ccc2oc(-c3ccccc3)cc2c1.
What is the InChIKey of 5-bromo-2-phenyl-1-benzofuran?
The InChIKey is SFOIOHYHETTZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-bromo-2-phenyl-1-benzofuran?
5-bromo-2-phenyl-1-benzofuran has a molecular weight of 273.13 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-phenyl-1-benzofuran is sourced from PubChem (CID 12023031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).